Tekst źródłowy strony Użytkowniczka:Ask/lista

Do za.

*[[BigDFT]] (GPU support, PRACE)
*[[CP2K]] (PRACE)
*[[Crystal]]
*[[Amber]]
*[[Firefly]] (problem z linkowaniem)
*[[DALI]] [http://ekhidna.biocenter.helsinki.fi/dali_lite/downloads/v3/]
*[[Mayavi]] [http://code.enthought.com/projects/mayavi/]
* [[Rosetta]][http://www.rosettacommons.org/software/index.html]
* [[pymol]] [http://www.pymolwiki.org] (Molecular Graphics System PyMOL is a molecular graphics system targetted at medium to large biomolecules like proteins. It can generate high-quality publication-ready molecular graphics images and animations. Features include:  * Visualization of molecules, molecular trajectories and surfaces of crystallography data or orbitals  * Molecular builder and sculptor  * Internal raytracer and movie generator  * Fully extensible and scriptable via a Python interface. File formats PyMOL can read include PDB, XYZ, CIF, MDL Molfile, ChemDraw, CCP4 maps, XPLOR maps and Gaussian cube maps.)
* [[Lumerical FDTD]] [http://www.lumerical.com/fdtd_parallel_description.php]

Do akt. apl.

* [[ProtoMol]] (2.1.1 -> 3.2)
* [[Gromacs]] (4.5.1 -> 4.5.2)
* [[SIESTA]] (2 -> 3)

Do akt. opis
* [[FreeFEM]]
* [[NWChem]]
Do op.
*[[Allinea DDT]]
* [[ANSYS]] - dla mechaników, na razie udostępniamy licencję, w lutym przechodzimy na krajową i wtedy zaplanować inst.
*[[APBS]] [http://www.poissonboltzmann.org/apbs/]
*[[Camfr]]
*[[CFOUR]] [http://www.cfour.de/]
*[[Hmmer]]
*[[Matlab]] (knitro)
*[[MOPAC]] (stara wersja, .f, nowa płatna)
*[[MPB]]
*[[OpenBabel]]
* [[Xaim]] [http://www.quimica.urv.es/XAIM/] 
* [[LAMMPS]]
* [[t-coffee]]
* [[ARPACK]], [[FFTW]], [[GSL]], [http://pl.wikipedia.org/wiki/GNU_Multiple_Precision_Arithmetic_Library GMP], [[MPFR]], [[MPC]]
* [[OFED]]
* I/O libs: [[NetPBM]], [[NetCDF]], [[HDF5]]

Komercyjne:
* http://www.molegro.com/products.php
* [[COMSOL]] (http://www.comsol.com/products/multiphysics/) - platon, może kdm?

Ze wsparciem dla GPU
* [[AutoDock]] [http://sourceforge.net/projects/gpuautodock/files/gpuautodock/GPUAUTODOCK.1.0.0/ gpuautodock na sourceforge]